[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H25ClN2O4/c1-12(18(26)24-16-4-2-15(3-5-16)17(23)25)28-19(27)20-7-13-6-14(8-20)10-21(22,9-13)11-20/h2-5,12-14H,6-11H2,1H3,(H2,23,25)(H,24,26)/t12-,13-,14+,20?,21?/m1/s1